1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate

C22H44ClNO2 — CID 87743568

IUPAC1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C.CCCCCCCCCCCCCCCl
InChIInChI=1S/C14H29Cl.C8H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-7(2)8(10)11-6-5-9(3)4/h2-14H2,1H3;1,5-6H2,2-4H3
InChIKeyNACZLMUGTWFSQI-UHFFFAOYSA-N
MW390.05 g/mol
LogP6.59
Rot. Bonds16

About 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate

1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate (PubChem CID 87743568) has the molecular formula C22H44ClNO2 and a molecular weight of 390.05 g/mol. Its IUPAC name is 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate
PubChem CID87743568
Molecular FormulaC22H44ClNO2
Molecular Weight390.05 g/mol
Exact Mass389.31
IUPAC Name1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C.CCCCCCCCCCCCCCCl
InChIInChI=1S/C14H29Cl.C8H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-7(2)8(10)11-6-5-9(3)4/h2-14H2,1H3;1,5-6H2,2-4H3
InChIKeyNACZLMUGTWFSQI-UHFFFAOYSA-N
XLogP6.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.05
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(dimethylamino)ethyl 2-methylprop-2-enoate;octyl nitrite
CID 174810218
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052

Frequently Asked Questions

What is the IUPAC name of 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate (CID 87743568) is 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)C.CCCCCCCCCCCCCCCl.
What is the InChIKey of 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is NACZLMUGTWFSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29Cl.C8H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-7(2)8(10)11-6-5-9(3)4/h2-14H2,1H3;1,5-6H2,2-4H3.
What are the key properties of 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate?
1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 390.05 g/mol, XLogP of 6.59, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorotetradecane;2-(dimethylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87743568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).